HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 2-(diphenylmethyleneamino)acetate
ethyl 2-[(diphenylMethylidene)aMino]acetate · N-(DIPHENYLMETHYLENE)GLYCINE ETHYL ESTER · ETHYL (DIPHENYLMETHYLENAMINO)ACETATE · (N,N-DIPHENYLMETHYLENE)GLYCINE ETHYL ESTER · NSC 263808 · DPM-Gly-Oet · N-(DiphenyL · AURORA KA-6707
Identifiers & Physical Properties
| CAS No. | 69555-14-2 |
|---|---|
| Molecular formula | C17H17NO2 |
| Average molar mass | 267.32 g/mol |
| Monoisotopic mass | 267.12592878 g/mol |
| SMILES | CCOC(=O)CN=C(c1ccccc1)c1ccccc1 |
| InChIKey | QUGJYNGNUBHTNS-UHFFFAOYSA-N |
| PubChem CID | 319508 |
| EC No. | 614-987-6 |
| DTXSID | DTXSID10312883 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 38.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 306 |
| Melting point | 51-53 °C(lit.) |
| Boiling point | 195°C/2mmHg(lit.) |
| Density | 1.0690 (rough estimate) |
| Refractive index | 1.5400 (estimate) |
| Flash point | >110°C |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 2.22±0.50(Predicted) |
| Physical state | Crystalline Powder or Crystals |
| Color | White to light yellow |
| Sensitivity | Moisture Sensitive |
| λmax | 247nm(Hexane)(lit.) |
| BRN | 1979922 |
| Stability | Moisture Sensitive |
| Major applications | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C17H17NO2/c1-2-20-16(19)13-18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3 |
| InChIKey | QUGJYNGNUBHTNS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C\N=C(/c1ccccc1)c2ccccc2 |
| LogP (partition coefficient) | 1.35-3.18 at 25℃ and pH0-14 |
| Dissociation constant | 2.3 at 25℃ |
| CAS DataBase Reference | 69555-14-2(CAS DataBase Reference) |
| UNSPSC Code | 12171500 |
| NACRES | NA.47 |
| GHS pictogram | GHS08 |
| Signal word | Danger |
| GHS hazard statements | H350 |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 22-24/25-36/37-26 |
| UN transport number | UN 3077 9 / PGIII |
| Water hazard class (WGK) | 3 |
| F | 10-21 |
| Customs code | 29224999 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazard class | Carc. 1B |
| REACH registrations | Inactive |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 90.5% (38 of 42) of all reports.Not ClassifiedAggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Status: Cease Manufacture Update: 01-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/5772 |
| Hazard Classes and Categories | Not Classified |
| F | 10-21 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3077 9 / PGIII |
| Customs code | 29224999 |
| Risk statements (R) | 36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS08 |
| Hazard symbols | Xi |
| Safety statements (S) | 22-24/25-36/37-26 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| GHS hazard statements | H350 |
| REACH registrations | Inactive |
| Hazard class | Carc. 1B |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501 |
Applications & Uses
Uses
N-(Diphenylmethylene)glycine Ethyl Ester is used as a reagent in the synthesis of pyrazolopyrrolyl tetrahydropyran DPP-4 inhibitors.